2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide

C16H14N4O2S — CID 135448159

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccnc3ccccc23)n1
InChIInChI=1S/C16H14N4O2S/c1-10-8-14(21)20-16(18-10)23-9-15(22)19-13-6-7-17-12-5-3-2-4-11(12)13/h2-8H,9H2,1H3,(H,17,19,22)(H,18,20,21)
InChIKeyUEFSTENSAXLIKM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.36
Rot. Bonds4

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide (PubChem CID 135448159) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide
PubChem CID135448159
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccnc3ccccc23)n1
InChIInChI=1S/C16H14N4O2S/c1-10-8-14(21)20-16(18-10)23-9-15(22)19-13-6-7-17-12-5-3-2-4-11(12)13/h2-8H,9H2,1H3,(H,17,19,22)(H,18,20,21)
InChIKeyUEFSTENSAXLIKM-UHFFFAOYSA-N
XLogP2.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ROCHE screening, 66
CID 135407456
ROCHE screening, 64
CID 135475857
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-phenyl-3-pyridinyl)acetamide
CID 71601110
5-Acetylaminoquinoline
CID 162518
ROCHE screening, 69
CID 135950077
ROCHE screening, 67
CID 135950079
ROCHE screening, 65
CID 135950070
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-4-quinolinylacetamide
CID 934786
4-methyl-2-(quinolin-8-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135496702
4-methyl-2-[(6-methylquinolin-8-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135520015
Carbamic acid, (6-quinolylcarbamoyl)methyl ester
CID 235405
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-2-ylphenyl)acetamide
CID 71601107

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide (CID 135448159) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccnc3ccccc23)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The InChIKey is UEFSTENSAXLIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-8-14(21)20-16(18-10)23-9-15(22)19-13-6-7-17-12-5-3-2-4-11(12)13/h2-8H,9H2,1H3,(H,17,19,22)(H,18,20,21).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide has a molecular weight of 326.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-quinolin-4-ylacetamide is sourced from PubChem (CID 135448159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).